Dactylocycline E

AlkaPlorer ID: AK294262

Synonym: None

IUPAC Name: 7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-(4-hydroxy-5-methoxy-4,6-dimethyloxan-2-yl)oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide

Structure

SMILES: COC1=CC(O)=C2C(=O)C3=C(O)C4(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C4(O)CC3C(C)(OC3CC(C)(O)C(OC)C(C)O3)C2=C1Cl

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InChI: InChI=1S/C31H39ClN2O13/c1-11-26(45-7)28(2,41)10-15(46-11)47-29(3)12-9-30(42)23(34(4)5)22(37)18(27(33)40)25(39)31(30,43)24(38)16(12)21(36)17-13(35)8-14(44-6)20(32)19(17)29/h8,11-12,15,23,26,35,37-38,41-43H,9-10H2,1-7H3,(H2,33,40)

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InChIKey: KRMJSDYQSWFDHD-UHFFFAOYSA-N

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Reference

CAS: 146064-01-9

COCONUT: CNP0141821.2

Properties Information

Molecule Weight: 683.1070000000003

TPSA: 238.76999999999995

MolLogP: 0.4877000000000027

Number of H-Donors: 7

Number of H-Acceptors: 14

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information